NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.3990 8.3001 120.3281 54.9519 33.9993 174.6482 1 A 4.3456 7.5292 116.9867 51.1343 21.9254 171.9792 2 D 5.0434 8.1006 117.8553 53.3013 44.6662 173.8639 3 Q 4.5624 8.0423 117.9515 55.6082 31.2837 174.0849 4 L 4.4374 8.8335 123.8314 56.3060 41.4053 177.1142 5 T 3.2159 8.1234 107.0979 63.0361 68.3716 171.7883 6 E 3.7959 8.2957 116.8656 60.1270 29.5716 178.9282 7 E 3.9505 8.2839 117.7974 59.7686 29.4803 179.0907 8 Q 4.3120 8.3379 120.9384 58.7134 29.0602 178.3354 9 I 3.8281 7.9082 119.0831 64.5377 38.0673 177.2064 10 A 4.0493 7.9933 120.9932 55.6069 17.7457 179.6254 11 E 4.0515 8.9963 117.0153 59.8098 29.6728 179.3000 12 F 4.1130 8.7949 117.7917 60.5456 38.6742 177.6766 13 K 3.6385 7.7167 116.5382 59.8340 32.1756 178.2430 14 E 4.1016 8.2766 118.0318 59.4433 29.2723 179.0638 15 A 4.1136 8.1633 120.1432 55.6669 18.4071 179.1828 16 F 3.1482 8.4822 118.6411 61.1499 38.9758 177.3486 17 S 3.8653 8.0416 112.0184 61.4980 62.3222 175.7156 18 L 3.9718 7.3226 120.1576 58.1959 41.4605 179.5233 19 F 4.3132 8.0732 115.6033 59.4749 39.6488 175.2706 20 D 4.7268 7.9858 120.0833 53.1481 39.5345 175.4229 21 K 4.2600 8.3687 124.4446 56.1834 31.9147 177.4524 22 D 4.6842 8.0841 120.2228 53.1642 42.8813 177.5394 23 G 4.5477 8.2828 105.7408 45.7789 0.0000 174.1736 24 D 4.3970 7.7832 120.1125 55.0844 39.8157 177.1801 25 G 4.4231 8.3284 107.5639 45.1750 0.0000 172.9905 26 T 5.2663 9.1306 108.8271 60.0551 72.4702 173.8223 27 I 4.4117 10.0569 123.9006 60.0283 39.0972 174.8130 28 T 4.4827 8.1343 128.8239 62.4428 69.9646 174.5105 29 T 3.9380 8.8356 107.9931 64.5915 69.4068 176.1258 30 K 3.8572 8.0417 122.8308 59.1933 31.7809 178.1727 31 E 3.9730 8.3419 117.8186 59.4526 28.9267 179.1413 32 L 4.2806 7.5509 120.0457 57.6405 42.0760 178.1251 33 G 4.0732 8.4419 103.1006 46.0812 0.0000 174.7969 34 T 4.2302 7.6699 117.4742 64.9406 68.9778 176.7788 35 V 2.9938 7.4583 119.9152 66.7249 31.5076 178.2285 36 M 3.9638 7.5665 118.2093 58.4703 31.6165 178.7074 37 R 4.2165 8.9431 117.2654 59.4162 29.1010 179.2104 38 S 4.0900 8.3494 115.5051 61.3618 62.8961 175.4555 39 L 4.0910 7.6746 117.7991 55.7432 41.7529 177.6424 40 G 3.8380 7.9335 106.5955 45.6747 0.0000 173.0263 41 Q 4.5785 7.7953 118.6082 53.8664 31.4588 175.4721 42 N 4.6889 7.7370 114.9476 53.4034 39.9373 171.5641 43 P 4.5355 0.0000 0.0000 61.7514 32.9802 176.8294 44 T 4.2527 8.0377 109.4337 60.8340 69.7256 174.8385 45 E 4.1264 8.5827 120.2145 57.9026 29.5925 178.1481 46 A 4.0393 7.8415 120.7437 55.5788 18.6654 178.7994 47 E 3.8450 8.1594 117.1410 59.5930 29.6185 178.3874 48 L 3.9455 7.7087 118.4974 58.2352 41.7961 179.2759 49 Q 3.9890 7.7968 118.8999 59.6227 28.7280 178.8997 50 D 4.3206 7.6551 116.8535 57.6551 41.5779 177.7549 51 M 4.2194 8.2756 119.5154 58.5482 31.9820 178.8619 52 I 3.9078 8.8220 120.9970 63.7132 37.0247 177.1207 53 N 4.6931 7.9059 115.2053 53.4500 38.6226 175.4538 54 E 4.4138 7.9099 120.5165 56.9136 30.5710 177.2666 55 V 4.0803 7.6002 110.0125 62.4510 33.8818 175.1931 56 D 4.3954 8.0276 119.6502 54.2079 39.6260 175.4318 57 A 4.3586 8.3031 128.8614 52.7478 19.3753 177.8822 58 D 4.4180 8.2409 115.1678 53.8505 40.0412 176.9499 59 G 3.8698 8.5719 107.2953 46.4409 0.0000 174.5011 60 N 4.3773 8.4941 119.0855 53.6635 37.7445 175.3768 61 G 4.0216 8.5257 106.7234 44.9652 0.0000 172.6517 62 T 4.7265 8.2619 113.1377 60.2550 69.6926 173.1401 63 I 4.7090 8.3617 122.1886 59.8963 40.6946 175.7012 64 D 5.4474 8.4205 125.5797 53.2519 43.9597 176.5151 65 F 2.6086 8.2820 119.5725 60.8925 37.7845 176.1529 66 P 3.8592 0.0000 0.0000 65.3098 31.1037 177.9276 67 E 4.1574 7.9714 116.9685 58.2597 29.8161 177.7091 68 F 4.4331 7.7257 120.4765 59.9833 39.7701 177.3546 69 L 3.7851 7.9125 118.9400 58.1185 41.3279 179.3553 70 T 3.6861 7.1810 112.0010 65.2267 66.9876 175.7154 71 M 3.8633 7.5424 119.4355 58.7654 32.1773 177.9615 72 M 4.0644 7.2703 117.1975 58.2408 32.3960 177.7168 73 A 4.1308 7.5498 119.6146 54.7890 18.6242 179.2998 74 R 3.4058 7.9767 109.3479 60.4470 30.1099 176.6314 75 K 4.1058 8.7258 126.7598 57.2249 32.2492 175.9845 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 M 8.30 4.40 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 1 A 7.53 4.35 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.10 5.04 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.04 4.56 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 4 L 8.83 4.44 0.00 1.82 1.76 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.12 3.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 6 E 8.30 3.80 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 7 E 8.28 3.95 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 8 Q 8.34 4.31 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.71 2.66 0.00 9 I 7.91 3.83 1.92 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 1.14 0.00 0.00 10 A 7.99 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.00 4.05 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 12 F 8.79 4.11 0.00 3.51 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.72 3.64 0.00 2.00 1.72 0.00 1.45 0.00 0.00 1.27 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.42 1.65 7.81 14 E 8.28 4.10 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 15 A 8.16 4.11 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.48 3.15 0.00 2.96 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.04 3.87 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.32 3.97 0.00 1.87 1.60 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.07 4.31 0.00 2.87 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.99 4.73 0.00 1.90 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.37 4.26 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 22 D 8.08 4.68 0.00 2.98 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.28 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.78 4.40 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.33 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 9.13 5.27 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 27 I 10.06 4.41 1.95 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 0.96 0.00 0.00 28 T 8.13 4.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 29 T 8.84 3.94 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 30 K 8.04 3.86 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.57 7.81 31 E 8.34 3.97 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 32 L 7.55 4.28 0.00 2.00 1.84 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.44 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.67 4.23 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 35 V 7.46 2.99 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.52 0.00 0.00 36 M 7.57 3.96 0.00 1.85 2.13 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.80 0.00 37 R 8.94 4.22 0.00 1.88 2.23 0.00 2.74 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 38 S 8.35 4.09 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.67 4.09 0.00 1.61 1.89 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.80 4.58 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.41 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 42 N 7.74 4.69 0.00 2.63 2.70 0.00 0.00 6.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.54 0.00 2.24 2.07 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 44 T 8.04 4.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 45 E 8.58 4.13 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 46 A 7.84 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.16 3.84 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 48 L 7.71 3.95 0.00 1.71 1.77 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.80 3.99 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 50 D 7.66 4.32 0.00 2.88 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.28 4.22 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 52 I 8.82 3.91 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.99 0.00 0.00 53 N 7.91 4.69 0.00 2.89 2.84 0.00 0.00 6.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.91 4.41 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 55 V 7.60 4.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.03 0.00 0.00 56 D 8.03 4.40 0.00 2.66 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.30 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.24 4.42 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.57 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.49 4.38 0.00 2.88 3.27 0.00 0.00 7.06 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.53 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.26 4.73 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 I 8.36 4.71 2.18 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.21 1.17 0.00 0.00 64 D 8.42 5.45 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.28 2.61 0.00 2.21 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 3.86 0.00 2.18 2.12 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 67 E 7.97 4.16 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 68 F 7.73 4.43 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.91 3.79 0.00 1.53 1.35 -0.45 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.18 3.69 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 71 M 7.54 3.86 0.00 1.57 1.83 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 72 M 7.27 4.06 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 73 A 7.55 4.13 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.98 3.41 0.00 2.00 1.77 0.00 3.30 0.00 0.00 3.11 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 75 K 8.73 4.11 0.00 1.71 1.69 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81